methyl 2-methyl-5-[4-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]butyl]-1,3-dithiane-2-carboxylate

Systemtic Name: methyl 2-methyl-5-[4-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]butyl]-1,3-dithiane-2-carboxylate Openeye Name: methyl 2-methyl-5-[4-[5-methyl-2-(p-tolyl)oxazol-4-yl]butyl]-1,3-dithiane-2-carboxylate CAS Name: 2-methyl-5-[4-[5-methyl-2-(4-methylphenyl)-4-oxazolyl]butyl]-1,3-dithiane-2-carboxylic acid methyl ester IUPAC Name: methyl 2-methyl-5-[4-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]butyl]-1,3-dithiane-2-carboxylate Traditional Name: 2-methyl-5-[4-[5-methyl-2-(p-tolyl)oxazol-4-yl]butyl]-1,3-dithiane-2-carboxylic acid methyl ester Formula: C22H29NO3S2 MolecularWeight: 419.60056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=C(O2)C)CCCCC3CSC(SC3)(C)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=C(O2)C)CCCCC3CSC(SC3)(C)C(=O)OC

InChI

InChI=1S/C22H29NO3S2/c1-15-9-11-18(12-10-15)20-23-19(16(2)26-20)8-6-5-7-17-13-27-22(3,28-14-17)21(24)25-4/h9-12,17H,5-8,13-14H2,1-4H3